(2-chloranyl-4-methylsulfonyl-phenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-4-methylsulfonyl-phenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-4-methylsulfonyl-phenyl)-[4-(2-furylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-4-methylsulfonylphenyl)-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-4-methylsulfonylphenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-4-mesyl-phenyl)-[4-(2-furfuryl)-1,4-diazepan-1-yl]methanone Formula: C18H21ClN2O4S MolecularWeight: 396.88834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)Cl

InChI

InChI=1S/C18H21ClN2O4S/c1-26(23,24)15-5-6-16(17(19)12-15)18(22)21-8-3-7-20(9-10-21)13-14-4-2-11-25-14/h2,4-6,11-12H,3,7-10,13H2,1H3